Information card for entry 2230930

Structure parameters

• Chemical name: Aqua{2-(morpholin-4-yl)-<i>N</i>-[1-(2-pyridyl)ethylidene]ethanamine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}bis(thiocyanato-κ<i>N</i>)manganese(II)
• Formula: C15 H21 Mn N5 O2 S2
• Calculated formula: C15 H21 Mn N5 O2 S2
• SMILES: [Mn]12([OH2])([n]3ccccc3C(=[N]1CC[N]12CCOCC1)C)(N=C=S)N=C=S
• Title of publication: Aqua{2-(morpholin-4-yl)-<i>N</i>-[1-(2-pyridyl)ethylidene]ethanamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}bis(thiocyanato-κ<i>N</i>)manganese(II)
• Authors of publication: Suleiman Gwaram, Nura; Khaledi, Hamid; Mohd Ali, Hapipah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m928
• a: 7.1837 ± 0.0013 Å
• b: 22.408 ± 0.004 Å
• c: 12.112 ± 0.002 Å
• α: 90°
• β: 91.149 ± 0.003°
• γ: 90°
• Cell volume: 1949.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes